2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CHEBI:110503)

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CHEBI:110503 - 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

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ChEBI ID	CHEBI:110503
ChEBI Name	2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
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Formula	C24H30N2O5
Net Charge	0
Average Mass	426.513
Monoisotopic Mass	426.21547
SMILES	COc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(N(C)C)ccc4O[C@@H]3[C@H](CO)O2)cc1
InChI	InChI=1S/C24H30N2O5/c1-26(2)16-6-9-21-19(10-16)20-11-18(30-22(14-27)24(20)31-21)12-23(28)25-13-15-4-7-17(29-3)8-5-15/h4-10,18,20,22,24,27H,11-14H2,1-3H3,(H,25,28)/t18-,20-,22+,24+/m1/s1
InChIKey	FHQWFYFYGUWLTN-NROSNUSPSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CHEBI:110503) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-21950	LINCS